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Chemical ID: 5988358

Chemical ID:

5988358

Name [?]:

1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one

SMILES [?]:

CCCCC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl

InChi [?]:

InChI=1/C18H22ClN3O2/c1-2-3-10-16(23)22-11-5-4-9-15(22)18-20-17(21-24-18)13-7-6-8-14(19)12-13/h6-8,12,15H,2-5,9-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,10,9,20,19,21,11,4,8,23,18,22,12,5,15,13,24,14,16,7,6,17/rA:24cCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂ClN₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2548
Area:	560.832
Solvation:	-2.766
Coulombic:	-29.6229

Bond Count [?]

All:	26
Single:	20
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	347.839
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.68
LogP (Chemaxon):	4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value